Chemie Search results for query - Protein Data Bank Japan

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 35338 results BIRD

PQC

PQC
Name:	3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
Formula:	C22 H16 N4 O2 S2
SMILES:	O=S(=O)(N)c1cccc(c1)Nc2nc4c(cn2)ccc3sc(cc34)c5ccccc5
InChi:	InChI=1S/C22H16N4O2S2/c23-30(27,28)17-8-4-7-16(11-17)25-22-24-13-15-9-10-19-18(21(15)26-22)12-20(29-19)14-5-2-1-3-6-14/h1-13H,(H2,23,27,28)(H,24,25,26)
Definition date:	2011-05-26
Last modified:	2011-06-17
Identifier:	3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide

ME7

ME7
Name:	1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)
Formula:	C10 H8 N2 O4
SMILES:	O=C1N(C(=O)C=C1)CCN2C(=O)C=CC2=O
InChi:	InChI=1S/C10H8N2O4/c13-7-1-2-8(14)11(7)5-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
Definition date:	2011-03-04
Last modified:	2011-06-17
Identifier:	1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione)

3HU

3HU
Name:	(S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE
Formula:	C15 H13 N3 O6 S2
SMILES:	O=C(O)C(N)CN1C(=O)N(C(=O)c2cscc12)Cc3c(scc3)C(=O)O
InChi:	InChI=1S/C15H13N3O6S2/c16-9(13(20)21)4-17-10-6-25-5-8(10)12(19)18(15(17)24)3-7-1-2-26-11(7)14(22)23/h1-2,5-6,9H,3-4,16H2,(H,20,21)(H,22,23)/t9-/m0/s1
Definition date:	2011-05-20
Last modified:	2011-06-17
Identifier:	3-({1-[(2S)-2-amino-2-carboxyethyl]-2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl}methyl)thiophene-2-carboxylic acid

JMZ

JMZ
Name:	6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine
Formula:	C11 H10 N6
SMILES:	n2c(c1ccc(cc1n2)c3nc(ncc3)N)N
InChi:	InChI=1S/C11H10N6/c12-10-7-2-1-6(5-9(7)16-17-10)8-3-4-14-11(13)15-8/h1-5H,(H3,12,16,17)(H2,13,14,15)
Definition date:	2010-07-13
Last modified:	2011-06-17
Identifier:	6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine

JP3

JP3
Name:	2-amino-N-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide
Formula:	C12 H10 N6 O3
SMILES:	O=C(NCc1occc1)c2nc3N=C(N)NC(=O)c3nc2
InChi:	InChI=1S/C12H10N6O3/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20)
Definition date:	2010-12-14
Last modified:	2011-06-17
Identifier:	2-amino-N-(furan-2-ylmethyl)-4-oxo-3,4-dihydropteridine-7-carboxamide

PFK

PFK
Name:	6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline
Formula:	C20 H17 N3 O2
SMILES:	n4c3c(cc(OC)c(OCCc1nc2c(cc1)cccc2)c3)cnc4
InChi:	InChI=1S/C20H17N3O2/c1-24-19-10-15-12-21-13-22-18(15)11-20(19)25-9-8-16-7-6-14-4-2-3-5-17(14)23-16/h2-7,10-13H,8-9H2,1H3
Definition date:	2011-02-15
Last modified:	2011-06-10
Identifier:	6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline

O7U

O7U
Name:	(2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide
Formula:	C3 H6 N3 O2 P
SMILES:	O=C1NC=CP(=O)(N)N1
InChi:	InChI=1S/C3H6N3O2P/c4-9(8)2-1-5-3(7)6-9/h1-2H,(H4,4,5,6,7,8)/t9-/m1/s1
Definition date:	2010-09-10
Last modified:	2011-06-10
Identifier:	(2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide

V63

V63
Name:	[(1R,5S)-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE
Formula:	C14 H17 N O2
SMILES:	O=C(OC1C[CH]2CC[CH](C1)N2)c3ccccc3
InChi:	InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13+
Definition date:	2011-01-12
Last modified:	2011-06-10
Identifier:	[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] benzoate

XQ0

XQ0
Name:	3-METHYL-1H-INDAZOL-6-OL
Formula:	C8 H8 N2 O
SMILES:	n2c(c1ccc(O)cc1n2)C
InChi:	InChI=1S/C8H8N2O/c1-5-7-3-2-6(11)4-8(7)10-9-5/h2-4,11H,1H3,(H,9,10)
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	3-methyl-1H-indazol-6-ol

XQK

XQK
Name:	METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
Formula:	C9 H9 N3 O3
SMILES:	O=C(OC)c2c(nnc2c1oncc1)C
InChi:	InChI=1S/C9H9N3O3/c1-5-7(9(13)14-2)8(12-11-5)6-3-4-10-15-6/h3-4H,1-2H3,(H,11,12)
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	methyl 5-isoxazol-5-yl-3-methyl-1H-pyrazole-4-carboxylate

V11

V11
Name:	[(1S,5R)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE
Formula:	C22 H25 N O3
SMILES:	O[CH](CN1[CH]2CC[CH]1CC(C2)OC(=O)c3ccccc3)c4ccccc4
InChi:	InChI=1S/C22H25NO3/c24-21(16-7-3-1-4-8-16)15-23-18-11-12-19(23)14-20(13-18)26-22(25)17-9-5-2-6-10-17/h1-10,18-21,24H,11-15H2/t18-,19+,20+,21-/m0/s1
Definition date:	2011-01-12
Last modified:	2011-06-10
Identifier:	[(1S,5R)-8-[(2R)-2-hydroxy-2-phenyl-ethyl]-8-azabicyclo[3.2.1]octan-3-yl] benzoate

V37

V37
Name:	[(1R,5S)-8-PHENETHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE
Formula:	C22 H25 N O2
SMILES:	O=C(OC1C[CH]2CC[CH](C1)N2CCc3ccccc3)c4ccccc4
InChi:	InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+
Definition date:	2011-01-12
Last modified:	2011-06-10
Identifier:	[(1R,5S)-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate

29B

29B
Name:	4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Formula:	C14 H10 F N3
SMILES:	Fc3ccc(c2cnnc2c1ccncc1)cc3
InChi:	InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-9-17-18-14(13)11-5-7-16-8-6-11/h1-9H,(H,17,18)
Definition date:	2011-04-27
Last modified:	2011-06-10
Identifier:	4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine

2A7

2A7
Name:	5-METHOXY-BENZENE-1,3-DIOL
Formula:	C7 H8 O3
SMILES:	Oc1cc(O)cc(OC)c1
InChi:	InChI=1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	5-methoxybenzene-1,3-diol

2A9

2A9
Name:	5-(HYDROXYMETHYL)-2-METHOXYPHENOL
Formula:	C8 H10 O3
SMILES:	Oc1cc(ccc1OC)CO
InChi:	InChI=1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	5-(hydroxymethyl)-2-methoxyphenol

2AE

2AE
Name:	2-AMINO-BENZAMIDE
Formula:	C7 H8 N2 O
SMILES:	O=C(c1ccccc1N)N
InChi:	InChI=1S/C7H8N2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10)
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	2-aminobenzamide

2D4

2D4
Name:	N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE
Formula:	C20 H15 N O4 S2
SMILES:	O=S(=O)(Nc3cc(c2c1ccccc1ccc2O)c(O)cc3)c4sccc4
InChi:	InChI=1S/C20H15NO4S2/c22-17-10-8-14(21-27(24,25)19-6-3-11-26-19)12-16(17)20-15-5-2-1-4-13(15)7-9-18(20)23/h1-12,21-23H
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]thiophene-2-sulfonamide

BR0

BR0
Name:	(3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid
Formula:	C14 H12 N2 O6
SMILES:	O=C(O)c1c3c(c([N+]([O-])=O)cc1)C2C=CCC2C(C(=O)O)N3
InChi:	InChI=1S/C14H12N2O6/c17-13(18)8-4-5-9(16(21)22)10-6-2-1-3-7(6)12(14(19)20)15-11(8)10/h1-2,4-7,12,15H,3H2,(H,17,18)(H,19,20)/t6-,7+,12-/m1/s1
Definition date:	2010-08-17
Last modified:	2011-06-10
Identifier:	(3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid

BUP

BUP
Name:	5-bromouridine 5'-(tetrahydrogen triphosphate)
Formula:	C9 H14 Br N2 O15 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(Br)=C1)C(O)C2O
InChi:	InChI=1S/C9H14BrN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Definition date:	2010-06-08
Last modified:	2011-06-10
Identifier:	5-bromouridine 5'-(tetrahydrogen triphosphate)

2FY

2FY
Name:	1-(2,4-DIHYDROXY-PHENYL)-PROPAN-1-ONE
Formula:	C9 H10 O3
SMILES:	O=C(c1ccc(O)cc1O)CC
InChi:	InChI=1S/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,10,12H,2H2,1H3
Definition date:	2011-03-30
Last modified:	2011-06-10
Identifier:	1-(2,4-dihydroxyphenyl)propan-1-one

2GA

2GA
Name:	2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE
Formula:	C8 H10 N4 S3
SMILES:	n2c(c(Sc1nnc(SC)s1)c(n2)C)C
InChi:	InChI=1S/C8H10N4S3/c1-4-6(5(2)10-9-4)14-8-12-11-7(13-3)15-8/h1-3H3,(H,9,10)
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(methylsulfanyl)-1,3,4-thiadiazole

2K4

2K4
Name:	1H-INDAZOL-6-OL
Formula:	C7 H6 N2 O
SMILES:	n2cc1ccc(O)cc1n2
InChi:	InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)
Definition date:	2011-03-25
Last modified:	2011-06-10
Identifier:	1H-indazol-6-ol

IA2

IA2
Name:	2,4-DICHLORO-6-(3,4,5-TRICHLORO-1H-PYRROL-2YL)PHENOL
Formula:	C10 H4 Cl5 N O
SMILES:	Clc2c(c1cc(Cl)cc(Cl)c1O)nc(Cl)c2Cl
InChi:	InChI=1S/C10H4Cl5NO/c11-3-1-4(9(17)5(12)2-3)8-6(13)7(14)10(15)16-8/h1-2,16-17H
Definition date:	2010-05-16
Last modified:	2011-06-10
Identifier:	2,4-dichloro-6-(3,4,5-trichloro-1H-pyrrol-2-yl)phenol

D7V

D7V
Name:	(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine
Formula:	C19 H21 N O
SMILES:	O3c1ccccc1/C(c2c(cccc2)C3)=CCCN(C)C
InChi:	InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
Definition date:	2011-05-25
Last modified:	2011-06-10
Identifier:	(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine

TOT

TOT
Name:	1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM
Formula:	C49 H58 N6 S2
SMILES:	S1c8ccccc8N(C/1=Cc3c2c(cccc2)[n+](cc3)CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]5c4c(cccc4)c(cc5)C=C7/Sc6ccccc6N7C)C
InChi:	InChI=1S/C49H58N6S2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4
Definition date:	1999-07-08
Last modified:	2011-06-07
Identifier:	1,1'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diyl]}bis{4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}

<1256 1257 1258 1259 1260 1261 126212631264 1265 1266 1267 1268 1269 1270 1271 >

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon